N-(3,5-dibromopyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dibromopyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(3,5-dibromopyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3021-0069 |
| Compound Name: | N-(3,5-dibromopyridin-2-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 508.19 |
| Molecular Formula: | C17 H12 Br2 N6 O S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(cc(cn1)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5704 |
| logD: | 3.4943 |
| logSw: | -3.8245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.715 |
| InChI Key: | HCKJGACKTKJGBI-UHFFFAOYSA-N |